Check for identical ion header in readMgfData()

lgatto · Nov 5, 2023 · da115ab · da115ab
1 parent 4d9a034
commit da115ab
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Showing 3 changed files with 13 additions and 2 deletions.
diff --git a/DESCRIPTION b/DESCRIPTION
@@ -1,6 +1,6 @@
 Package: MSnbase
 Title: Base Functions and Classes for Mass Spectrometry and Proteomics
-Version: 2.29.0
+Version: 2.29.1
 Description: MSnbase provides infrastructure for manipulation,
              processing and visualisation of mass spectrometry and
              proteomics data, ranging from raw to quantitative and

diff --git a/NEWS.md b/NEWS.md
@@ -1,5 +1,10 @@
 # MSnbase 2.29
 
+## MSnbase 2.29.1
+
+- Check for identical ion header in `readMgfData()` (see [issue
+  597](https://github.com/lgatto/MSnbase/issues/597)).
+
 ## MSnbase 2.29.0
 
 - New devel

diff --git a/R/readWriteMgfData.R b/R/readWriteMgfData.R
@@ -53,7 +53,7 @@ writeMgfDataFile <- function(splist, con, COM = NULL, TITLE = NULL,
   }
   cat(paste0("COM=",COM), file = con, sep = "")
 
-  
+
   verbose <- verbose & length(splist) > 1
 
   if (verbose)
@@ -161,6 +161,12 @@ readMgfData <- function(filename,
 
   fdata <- do.call(rbind, fdata)
 
+  ## This checks that the headers are all the same
+  fdn <- sapply(fdata, names, simplify = FALSE)
+  fdn1 <- fdn[[1]]
+  for (i in fdn)
+      stopifnot(identical(fdn1, i), "Ion headers identical.")
+
   names(spectra) <- paste0("X", seq_along(spectra))
   assaydata <- list2env(spectra)
   process <- new("MSnProcess",